3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide

C15H26N2O4S — CID 89260927

IUPAC3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide
SMILESCCCCCNC(=O)CCSC1CC(=O)N(CCC=O)C1O
InChIInChI=1S/C15H26N2O4S/c1-2-3-4-7-16-13(19)6-10-22-12-11-14(20)17(15(12)21)8-5-9-18/h9,12,15,21H,2-8,10-11H2,1H3,(H,16,19)
InChIKeyUZTBDRMYZIXDLU-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.92
Rot. Bonds11

About 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide

3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide (PubChem CID 89260927) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide.

Molecular Properties

Compound Name3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide
PubChem CID89260927
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide
SMILESCCCCCNC(=O)CCSC1CC(=O)N(CCC=O)C1O
InChIInChI=1S/C15H26N2O4S/c1-2-3-4-7-16-13(19)6-10-22-12-11-14(20)17(15(12)21)8-5-9-18/h9,12,15,21H,2-8,10-11H2,1H3,(H,16,19)
InChIKeyUZTBDRMYZIXDLU-UHFFFAOYSA-N
XLogP0.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide?
The IUPAC name of 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide (CID 89260927) is 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide.
What is the SMILES notation for 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide?
The canonical SMILES for 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide is CCCCCNC(=O)CCSC1CC(=O)N(CCC=O)C1O.
What is the InChIKey of 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide?
The InChIKey is UZTBDRMYZIXDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-2-3-4-7-16-13(19)6-10-22-12-11-14(20)17(15(12)21)8-5-9-18/h9,12,15,21H,2-8,10-11H2,1H3,(H,16,19).
What are the key properties of 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide?
3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide has a molecular weight of 330.45 g/mol, XLogP of 0.92, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-oxo-1-(3-oxopropyl)pyrrolidin-3-yl]sulfanyl-N-pentylpropanamide is sourced from PubChem (CID 89260927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).